N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide

C18H13ClF3N3O4S — CID 155116369

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cc(F)cc3F)n2)c1
InChIInChI=1S/C18H13ClF3N3O4S/c1-25-8-14(23-17(25)16-12(21)5-9(20)6-13(16)22)18(26)24-30(27,28)15-7-10(29-2)3-4-11(15)19/h3-8H,1-2H3,(H,24,26)
InChIKeyZQDSBEBTTVOCRC-UHFFFAOYSA-N
MW459.83 g/mol
LogP3.29
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide (PubChem CID 155116369) has the molecular formula C18H13ClF3N3O4S and a molecular weight of 459.83 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
PubChem CID155116369
Molecular FormulaC18H13ClF3N3O4S
Molecular Weight459.83 g/mol
Exact Mass459.03
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cc(F)cc3F)n2)c1
InChIInChI=1S/C18H13ClF3N3O4S/c1-25-8-14(23-17(25)16-12(21)5-9(20)6-13(16)22)18(26)24-30(27,28)15-7-10(29-2)3-4-11(15)19/h3-8H,1-2H3,(H,24,26)
InChIKeyZQDSBEBTTVOCRC-UHFFFAOYSA-N
XLogP3.29
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide (CID 155116369) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cc(F)cc3F)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The InChIKey is ZQDSBEBTTVOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4S/c1-25-8-14(23-17(25)16-12(21)5-9(20)6-13(16)22)18(26)24-30(27,28)15-7-10(29-2)3-4-11(15)19/h3-8H,1-2H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide has a molecular weight of 459.83 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 155116369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).